CID 6327095

Oxalates

Structural Information

Molecular Formula
C2H4N2O4
SMILES
C(=O)(C(=O)ON)ON
InChI
InChI=1S/C2H4N2O4/c3-7-1(5)2(6)8-4/h3-4H2
InChIKey
BWBRNVIOVBTSJT-UHFFFAOYSA-N
Compound name
diamino oxalate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7142
References

850
Patents

120.017105 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.02438 118.7
[M+Na]+ 143.00632 126.0
[M-H]- 119.00983 118.6
[M+NH4]+ 138.05093 139.7
[M+K]+ 158.98026 127.6
[M+H-H2O]+ 103.01436 113.5
[M+HCOO]- 165.01531 143.9
[M+CH3COO]- 179.03096 169.6
[M+Na-2H]- 140.99177 123.5
[M]+ 120.01656 117.5
[M]- 120.01765 117.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe